A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates

Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom...

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Bibliographic Details
Published in:Carbon (New York) 2013-06, Vol.57, p.108-119
Main Authors: Zhao, Junhua, Jiang, Jin-Wu, Jia, Yue, Guo, Wanlin, Rabczuk, Timon
Format: Article
Language:English
Subjects:
Carbon
Carbon nanotubes
Cohesion
Continuums
Cross-disciplinary physics: materials science
rheology
Exact sciences and technology
Graphene
Materials science
Mathematical analysis
Mathematical models
Molecular dynamics
Nanocomposites
Nanoelectromechanical systems
Nanomaterials
Nanoscale materials and structures: fabrication and characterization
Nanostructure
Nanotubes
Physics
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Summary:Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom molecular dynamics calculations and available experimental results shows that the continuum solution has high accuracy. The equilibrium distances between the nanotubes, graphene and substrates with minimum cohesive energy are also provided explicitly. The obtained analytical solution should be of great help for understanding the interaction between the nanostructures and substrates, and designing composites and nanoelectromechanical systems.
ISSN:0008-6223
1873-3891
DOI:10.1016/j.carbon.2013.01.041